N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C26H32N2O4 — CID 25473963

IUPACN-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-17(2)23(27-25(30)21-7-5-6-18(3)16-21)26(31)28-14-12-20(13-15-28)24(29)19-8-10-22(32-4)11-9-19/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,27,30)/t23-/m1/s1
InChIKeyKWTSXKKNBDORTF-HSZRJFAPSA-N
MW436.55 g/mol
LogP3.88
Rot. Bonds7

About N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 25473963) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID25473963
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-17(2)23(27-25(30)21-7-5-6-18(3)16-21)26(31)28-14-12-20(13-15-28)24(29)19-8-10-22(32-4)11-9-19/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,27,30)/t23-/m1/s1
InChIKeyKWTSXKKNBDORTF-HSZRJFAPSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide with MolForge

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Related Compounds

2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31611312
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
CID 42934338
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide;hydrochloride
CID 119483760

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 25473963) is N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is KWTSXKKNBDORTF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-17(2)23(27-25(30)21-7-5-6-18(3)16-21)26(31)28-14-12-20(13-15-28)24(29)19-8-10-22(32-4)11-9-19/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,27,30)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 436.55 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 25473963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).